SCHEMBL5361201

SCHEMBL5361201

COc1ccc2nccc(CCN3CCC(N(C)C(=O)c4ccc5c(n4)NC(=O)CCS5)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14610739 0.93 KCNH2 (0.47) KCNH2
SCHEMBL14610706 0.91 KCNH2 (0.47) KCNH2
SCHEMBL5523706 0.89 KCNH2 (0.44) KCNH2
SCHEMBL14610955 0.89 KCNH2 (0.48) KCNH2
SCHEMBL14611178 0.88 KCNH2 (0.49) KCNH2
SCHEMBL14610698 0.86 KCNH2 (0.47) KCNH2
SCHEMBL14610685 0.85 KCNH2 (0.47) KCNH2
SCHEMBL14610718 0.84 KCNH2 (0.52) KCNH2
SCHEMBL14610725 0.84 KCNH2 (0.43) KCNH2
SCHEMBL14610699 0.84 KCNH2 (0.46) KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed